Geometry & MOs

Info

ID:	159962
PubChem CID:	57304194
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-228.95
Dipole, Da:	6.32
IP(EA), eV:	-9.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR)-2-tert-butyl-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1C(C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N

DOS

IR

Vibrations